In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2009 | 29 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.51 | 10.38 | -14.75 | 0 | 5 | 0 | 41 | 410.518 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.51 | 12.65 | -41.66 | 1 | 5 | 1 | 43 | 411.526 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.